Ab initio random structure searching for battery cathode materials
Lu, Ziheng, Zhu, Bonan, Shires, Benjamin W. B., Scanlon, David O., Pickard, Chris J.
Published in The Journal of chemical physics (07.05.2021)
Published in The Journal of chemical physics (07.05.2021)
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Journal Article
Random Structure Searching with Orbital-Free Density Functional Theory
Witt, William C, Shires, Benjamin W. B, Tan, Chuin Wei, Jankowski, Wojciech J, Pickard, Chris J
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.02.2021)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.02.2021)
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Journal Article
Ab initio random structure searching for battery cathode materials
Lu, Ziheng, Zhu, Bonan, Shires, Benjamin W B, Scanlon, David O, Pickard, Chris J
Published in arXiv.org (01.04.2021)
Published in arXiv.org (01.04.2021)
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Journal Article